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Why do we need a(nother) new data format? A standardized data format for azimuthally integrated area detector data

Jørgensen, Mads Ry Vogel LU orcid ; Gjørup, Frederik Holm LU orcid ; Matej, Zdenek LU orcid ; De Nolf, Wout and Bell, Paul LU (2026) In Journal of Synchrotron Radiation 33. p.896-898
Abstract

Many powder X-ray diffraction, total scattering, and small-angle X-ray scattering experiments at synchrotron facilities yield azimuthally integrated intensity data, yet current practice relies on facility-specific data formats that hinder inter-operability and reuse. We propose a standardized HDF5-based format within the NeXus convention (NXazint), designed to store 1D and 2D integrated data along with essential metadata for direct use in analysis software. This approach supports FAIR principles, simplifies handling of large datasets, and promotes compatibility across beamlines and facilities. The format is already implemented at MAX IV, with visualization and powder X-ray diffraction refinement tools available.

Please use this url to cite or link to this publication:
author
; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
azimuthal integration, data format, PXRD, scattering
in
Journal of Synchrotron Radiation
volume
33
pages
3 pages
publisher
International Union of Crystallography
external identifiers
  • scopus:105038267296
  • pmid:42047339
ISSN
0909-0495
DOI
10.1107/S1600577526004224
language
English
LU publication?
yes
additional info
Publisher Copyright: © Mads Ry Vogel Jørgensen et al. 2026.
id
34c14102-2a26-4a0f-b56b-dc9a149a756c
date added to LUP
2026-05-27 19:15:35
date last changed
2026-06-24 21:30:11
@article{34c14102-2a26-4a0f-b56b-dc9a149a756c,
  abstract     = {{<p>Many powder X-ray diffraction, total scattering, and small-angle X-ray scattering experiments at synchrotron facilities yield azimuthally integrated intensity data, yet current practice relies on facility-specific data formats that hinder inter-operability and reuse. We propose a standardized HDF5-based format within the NeXus convention (NXazint), designed to store 1D and 2D integrated data along with essential metadata for direct use in analysis software. This approach supports FAIR principles, simplifies handling of large datasets, and promotes compatibility across beamlines and facilities. The format is already implemented at MAX IV, with visualization and powder X-ray diffraction refinement tools available.</p>}},
  author       = {{Jørgensen, Mads Ry Vogel and Gjørup, Frederik Holm and Matej, Zdenek and De Nolf, Wout and Bell, Paul}},
  issn         = {{0909-0495}},
  keywords     = {{azimuthal integration; data format; PXRD; scattering}},
  language     = {{eng}},
  month        = {{05}},
  pages        = {{896--898}},
  publisher    = {{International Union of Crystallography}},
  series       = {{Journal of Synchrotron Radiation}},
  title        = {{Why do we need a(nother) new data format? A standardized data format for azimuthally integrated area detector data}},
  url          = {{http://dx.doi.org/10.1107/S1600577526004224}},
  doi          = {{10.1107/S1600577526004224}},
  volume       = {{33}},
  year         = {{2026}},
}